AI, Artificial Intelligence, Computational Chemistry

How DeepSeek Can Revolutionize Computational Chemistry Research and Education

January 28, 2025 — 0 Comments

ACS, AI, Artificial Intelligence, Collaborations, Computational Chemistry, DFT, Inorganic Chemistry, Models, Research, Theoretical Chemistry, Thermodynamics

pka values for Arsonic Acids – New paper in ACS Omega

January 22, 2025 — 0 Comments

Artificial Intelligence, Coding, Computational Chemistry, QSAR, Theoretical Chemistry

Calculating chemical descriptors with Mordred

May 8, 2023 — 2 Comments

AI, Articles, Artificial Intelligence, Blogging, Coding, Computational Chemistry, Publications, Research

ChatGPT in Computational Chemistry

January 24, 2023 — 7 Comments